InterfaceAnalyzer error

[Nayonika2106]

I have run rosetta single state affinity maturation of my scFv(AlphaFold predicted, with antibody sequence from pdb) and antigen (pdb) HADDOCK docked structure complex. The designs I obtained after the single-state process were run on InterfaceAnalyser, which is when I get this error every time I run my scFv (antibody)-antigen complex through Rosetta's InterfaceAnalyzer or scoreddG applications. I tried cleaning the design pdb, removing hydrogen atoms from pdb, checking the file manually for the said unrecognized aa, but all in vain. Is this error due to the antibody numbering scheme? Or due to misreading of columns in pdb file? Or due to any other reason, kindly let me know. Kindly also let me know any other suggestions to fix this error-
**ERROR: unrecognized aa type B2A

ERROR:: Exit from: src/core/chemical/AA.cc line: 301

[ERROR]: Caught exception:

File: src/core/chemical/AA.cc: 301
[ERROR] UtilityExitException
ERROR: unrecognized aa type B2A**

email ID: nayonika.chatterjee_phd23@ashoka.edu.in

[roccomoretti]

Which version of Rosetta are you using? The B2A aa type should be recognized since 3.14 (or weekly releases 2022.38 or later). If you're using 3.13 or earlier for the executable, but using a more recent database, then you might encounter that error.

Note that the version of the database is somewhat closely tied to the version of the code. Using a version of the Rosetta database with a different code version may lead to errors like the above. -- This is one reason I don't recommend using the ROSETTA3_DB or PYROSETTA_DATABASE environment variables if you have multiple versions of Rosetta. It's too easy to use the wrong version of the database. (Note that when installed in the typical manner, Rosetta has been able to automatically find the database for a while now. As such, using the environment variables or the -database flag is usually unnecessary, and often counter-productive.)

[Nayonika2106]

Thank you for the suggestion.